PMID: 
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Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.
Kiyeleko S,
Hocine S,
Mautino G,
Kuenemann M,
Nawrotek A,
Miallau L,
Vuillard LM,
Mirguet O,
Kotschy A,
Hanessian S
Bioorg Med Chem Lett 75 128950 (2022)
Abstract
We describe the synthesis of a series of 3-t-butyl 5-aminopyrazole p-substituted arylamides as inhibitors of serine-threonine25 (STK25), an enzyme implicated in the progression of non-alcoholic fatty liver disease (NAFLD). Appending a p-N-pyrrolidinosulphonamide group to the arylamide group led to a 'first-in kind' inhibitor with IC50 = 228 nM. A co-crystal structure with STK 25 revealed productive interactions which were also reproduced using molecular docking. A new series of triazolo dihydro oxazine carboxamides of 3-t-butyl 5-aminopyrazole was not active against STK25.
We are not aware of any publication which cites or mentions this structure.